1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea

C16H20F2N2O2 — CID 75444523

IUPAC1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea
SMILESO=C(NCCC1CC1)NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O2/c17-12-4-3-11(9-13(12)18)15-14(6-8-22-15)20-16(21)19-7-5-10-1-2-10/h3-4,9-10,14-15H,1-2,5-8H2,(H2,19,20,21)
InChIKeySMABBMAYQCRIMC-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.89
Rot. Bonds5

About 1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea

1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea (PubChem CID 75444523) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea
PubChem CID75444523
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea
SMILESO=C(NCCC1CC1)NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O2/c17-12-4-3-11(9-13(12)18)15-14(6-8-22-15)20-16(21)19-7-5-10-1-2-10/h3-4,9-10,14-15H,1-2,5-8H2,(H2,19,20,21)
InChIKeySMABBMAYQCRIMC-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea?
The IUPAC name of 1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea (CID 75444523) is 1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea.
What is the SMILES notation for 1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea?
The canonical SMILES for 1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea is O=C(NCCC1CC1)NC1CCOC1c1ccc(F)c(F)c1.
What is the InChIKey of 1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea?
The InChIKey is SMABBMAYQCRIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-12-4-3-11(9-13(12)18)15-14(6-8-22-15)20-16(21)19-7-5-10-1-2-10/h3-4,9-10,14-15H,1-2,5-8H2,(H2,19,20,21).
What are the key properties of 1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea?
1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea has a molecular weight of 310.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea is sourced from PubChem (CID 75444523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).